3-morpholin-4-ylpropyl (E)-4-oxidanylidene-4-[[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-6-yl]amino]but-2-enoate

Systemtic Name: 3-morpholin-4-ylpropyl (E)-4-oxidanylidene-4-[[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-6-yl]amino]but-2-enoate Openeye Name: 3-morpholinopropyl (E)-4-[[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[4-[[2-(phenylmethyl)-5-benzo[e]indazolyl]amino]-6-quinazolinyl]amino]-2-butenoic acid 3-(4-morpholinyl)propyl ester IUPAC Name: 3-morpholin-4-ylpropyl (E)-4-[[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-[(2-benzylbenz[e]indazol-5-yl)amino]quinazolin-6-yl]amino]-4-keto-but-2-enoic acid 3-morpholinopropyl ester Formula: C37H35N7O4 MolecularWeight: 641.7183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC(=O)C=CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=NN(C=C5C6=CC=CC=C64)CC7=CC=CC=C7

Isomeric SMILES

C1COCCN1CCCOC(=O)/C=C/C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=NN(C=C5C6=CC=CC=C64)CC7=CC=CC=C7

InChI

InChI=1S/C37H35N7O4/c45-35(13-14-36(46)48-18-6-15-43-16-19-47-20-17-43)40-27-11-12-32-30(21-27)37(39-25-38-32)41-33-22-34-31(28-9-4-5-10-29(28)33)24-44(42-34)23-26-7-2-1-3-8-26/h1-5,7-14,21-22,24-25H,6,15-20,23H2,(H,40,45)(H,38,39,41)/b14-13+